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Context: Breast cancer, characterized by abnormal growth in breast tissue with potential invasion into other body parts, poses significant challenges in treatment due to the associated negative implications of conventional therapies like radiation, chemotherapy, and surgery. Abrus precatorius, a plant species from the Leguminosae family, offers an alternative herbal approach for cancer therapy due to its leaves' antioxidant and antiproliferative properties. Aims: To evaluate the bioactivity of A. precatorius leaf compounds against the epidermal growth factor receptor (EGFR) protein within the breast cancer signaling pathway, employing a protein-ligand networking approach and molecular docking analysis. Methods: Bioactive A. precatorius compounds were retrieved from PubChem, analyzed for similarity using SWISS ADME, anticancer potential using PASSOnline, docked using PyRX, visualized using Biovia discovery studio, and ADMET analysis using pkCSM. Results: The bioactive compounds abrin, abrusoside A, glycyrrhizin, and stigmasterol, sourced from A. precatorius leaves, possess the potential to inhibit EGFR proteins implicated in breast cancer. Among these compounds, stigmasterol stands out as a bioactive compound with a binding affinity that surpasses that of the ATP as a control ligand and erlotinib as a reference drug. Conclusions: In silico analysis highlights stigmasterol from A. precatorius as a promising EGFR inhibitor for breast cancer, showing superior binding affinity (-9.9 kcal/mol) compared to ATP (-8,7 kcal/mol) and erlotinib (-6,8 kcal/mol). Its excellent intestinal absorption (94.97%), good permeability (1.213), and moderate BBB permeability (0.771) support its potential for both central nervous system and peripheral targets, warranting further research
Mildawati et al. (Thu,) studied this question.